Chemical ID: 4528683

CC1CCCC(=NNc2ccccc2[N+](=O)[O-])C1
Chemical ID:
4528683
Name [?]:
N-(3-methylcyclohexylidene)amino-2-nitro-aniline
SMILES [?]:
CC1CCCC(=NNc2ccccc2[N+](=O)[O-])C1
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C13H17N3O2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:4.91022
Area:436.882
Solvation:-6.01181
Coulombic:-23.814
Bond Count [?]
All:19
Single:14
Double:5
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:247.293
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.46
LogP (Chemaxon):4.55

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue